N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine

C14H11N5S — CID 135971353

IUPACN-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(/N=N/c2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C14H11N5S/c1-3-7-11(8-4-1)15-13-17-19-14(20-13)18-16-12-9-5-2-6-10-12/h1-10H,(H,15,17)/b18-16+
InChIKeyMJIOPLBUOHZKBO-FBMGVBCBSA-N
MW281.34 g/mol
LogP4.70
Rot. Bonds4

About N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine

N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine (PubChem CID 135971353) has the molecular formula C14H11N5S and a molecular weight of 281.34 g/mol. Its IUPAC name is N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
PubChem CID135971353
Molecular FormulaC14H11N5S
Molecular Weight281.34 g/mol
Exact Mass281.07
IUPAC NameN-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine
SMILESc1ccc(/N=N/c2nnc(Nc3ccccc3)s2)cc1
InChIInChI=1S/C14H11N5S/c1-3-7-11(8-4-1)15-13-17-19-14(20-13)18-16-12-9-5-2-6-10-12/h1-10H,(H,15,17)/b18-16+
InChIKeyMJIOPLBUOHZKBO-FBMGVBCBSA-N
XLogP4.70
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-1H-1,2,3,4-tetrazol-5-amine
CID 141040
N-phenyl-1,3,4-thiadiazol-2-amine
CID 767363
5-Anilino-4-phenyl-4H-1,2,4-triazole-3-thiol
CID 667525
1-Phenyl-3-(1,3,4-thiadiazol-2-yl)thiourea
CID 870537
5-Anilino-1,2,3,4-thiatriazole
CID 83115
Urea, N-phenyl-N'-1,3,4-thiadiazol-2-yl-
CID 100304
1-(4-Iodophenyl)-3-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)thiourea
CID 155539332
2-methyl-N-[5-(phenylcarbamothioylamino)-1,3,4-thiadiazol-2-yl]propanamide
CID 1547874
2-[(5-Anilino-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile
CID 4881920
N-phenyl-5-(propan-2-ylthio)-1,3,4-thiadiazol-2-amine
CID 2114383
5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 762828
N-(4-fluorophenyl)-1,2,3,4-thiatriazol-5-amine
CID 718655

Frequently Asked Questions

What is the IUPAC name of N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine (CID 135971353) is N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine is c1ccc(/N=N/c2nnc(Nc3ccccc3)s2)cc1.
What is the InChIKey of N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine?
The InChIKey is MJIOPLBUOHZKBO-FBMGVBCBSA-N. The full InChI is InChI=1S/C14H11N5S/c1-3-7-11(8-4-1)15-13-17-19-14(20-13)18-16-12-9-5-2-6-10-12/h1-10H,(H,15,17)/b18-16+.
What are the key properties of N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine?
N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine has a molecular weight of 281.34 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-5-phenyldiazenyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135971353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).